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11-[3-(Dimethyl-amino)prop-yl]-6,11-dihydro-dibenzo[b,e]thiepin-11-ol.

ABSTRACT: There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(19)H(23)NOS. In each mol-ecule, the seven-membered thiepine ring is bent into a slightly twisted V-shape. The dihedral angles between the mean planes of the two benzene rings fused to the thiepine ring are 75.7?(5) in mol-ecule A and 73.8?(4)° in mol-ecule B. In both mol-ecules, an intra-molecular O-H?N hydrogen bond occurs. In the crystal, weak inter-molecular C-H?O and C-H??-ring inter-actions are observed.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC2980032 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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11-[3-(Dimethyl-amino)prop-yl]-6,11-dihydro-dibenzo[b,e]thiepin-11-ol.

Jasinski Jerry P JP Butcher Ray J RJ Hakim Al-Arique Q N M QN Yathirajan H S HS Ramesha A R AR

Acta crystallographica. Section E, Structure reports online 20091216 Pt 1

There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(19)H(23)NOS. In each mol-ecule, the seven-membered thiepine ring is bent into a slightly twisted V-shape. The dihedral angles between the mean planes of the two benzene rings fused to the thiepine ring are 75.7 (5) in mol-ecule A and 73.8 (4)° in mol-ecule B. In both mol-ecules, an intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, weak inter-molecular C-H⋯O and C-H⋯π-ring inter-actions are ob ...[more]

PMID: 21580050

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